[(4Z)-4-[[(2-methyl-5-nitro-phenyl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] 2-bromanylbenzoate

Systemtic Name: [(4Z)-4-[[(2-methyl-5-nitro-phenyl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] 2-bromanylbenzoate Openeye Name: [(4Z)-4-[(2-methyl-5-nitro-anilino)methylene]-3-oxo-cyclohexa-1,5-dien-1-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(4Z)-4-[(2-methyl-5-nitroanilino)methylidene]-3-oxo-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [(4Z)-4-[(2-methyl-5-nitroanilino)methylidene]-3-oxocyclohexa-1,5-dien-1-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(4Z)-3-keto-4-[(2-methyl-5-nitro-anilino)methylene]cyclohexa-1,5-dien-1-yl] ester Formula: C21H15BrN2O5 MolecularWeight: 455.2582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC=C2C=CC(=CC2=O)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N/C=C\2/C=CC(=CC2=O)OC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H15BrN2O5/c1-13-6-8-15(24(27)28)10-19(13)23-12-14-7-9-16(11-20(14)25)29-21(26)17-4-2-3-5-18(17)22/h2-12,23H,1H3/b14-12-