2-[(4E)-3-azanyl-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methoxy-5-methyl-1H-pyridin-2-yl]-7-bromanyl-6-methoxy-quinoline-5,8-dione

Systemtic Name: 2-[(4E)-3-azanyl-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methoxy-5-methyl-1H-pyridin-2-yl]-7-bromanyl-6-methoxy-quinoline-5,8-dione Openeye Name: 2-[(4E)-3-amino-4-(4,5-dimethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-methoxy-5-methyl-1H-pyridin-2-yl]-7-bromo-6-methoxy-quinoline-5,8-dione CAS Name: 2-[(4E)-3-amino-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-6-methoxy-5-methyl-1H-pyridin-2-yl]-7-bromo-6-methoxyquinoline-5,8-dione IUPAC Name: 2-[(4E)-3-amino-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-6-methoxy-5-methyl-1H-pyridin-2-yl]-7-bromo-6-methoxyquinoline-5,8-dione Traditional Name: 2-[(4E)-3-amino-4-(6-keto-4,5-dimethoxy-cyclohexa-2,4-dien-1-ylidene)-6-methoxy-5-methyl-1H-pyridin-2-yl]-7-bromo-6-methoxy-quinoline-5,8-quinone Formula: C25H22BrN3O7 MolecularWeight: 556.36208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C(C1=C2C=CC(=C(C2=O)OC)OC)N)C3=NC4=C(C=C3)C(=O)C(=C(C4=O)Br)OC)OC

Isomeric SMILES

CC\1=C(NC(=C(/C1=C/2\C=CC(=C(C2=O)OC)OC)N)C3=NC4=C(C=C3)C(=O)C(=C(C4=O)Br)OC)OC

InChI

InChI=1S/C25H22BrN3O7/c1-10-15(11-7-9-14(33-2)23(34-3)20(11)30)17(27)19(29-25(10)36-5)13-8-6-12-18(28-13)22(32)16(26)24(35-4)21(12)31/h6-9,29H,27H2,1-5H3/b15-11+