4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 4-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 4-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 4-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C18H14BrN3O5 MolecularWeight: 432.22486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=C3C=C(C(=O)C(=C3)Br)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=C3C=C(C(=O)C(=C3)Br)OC

InChI

InChI=1S/C18H14BrN3O5/c1-10-14(7-11-8-15(19)17(23)16(9-11)27-2)18(24)21(20-10)12-3-5-13(6-4-12)22(25)26/h3-9,20H,1-2H3