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-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-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-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-bromoquinoline-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-bromoquinoline-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-quinoline-5,8-quinone Formula: C24H20BrN3O6 MolecularWeight: 526.3361

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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

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

InChI

InChI=1S/C24H20BrN3O6/c1-10-17(12-6-8-16(32-2)23(33-3)21(12)30)18(26)20(28-24(10)34-4)14-7-5-11-15(29)9-13(25)22(31)19(11)27-14/h5-9,28H,26H2,1-4H3/b17-12+