2-bromanyl-4-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-nitro-phenolate

Systemtic Name: 2-bromanyl-4-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-nitro-phenolate Openeye Name: 2-bromo-4-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]-6-nitro-phenolate CAS Name: 2-bromo-4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-6-nitrophenolate IUPAC Name: 2-bromo-4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-6-nitrophenolate Traditional Name: 2-bromo-4-[(E)-2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]-6-nitro-phenolate Formula: C17H11BrN3O4- MolecularWeight: 401.19094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)Br)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H12BrN3O4/c1-10-2-4-13(5-3-10)20-17(23)12(9-19)6-11-7-14(18)16(22)15(8-11)21(24)25/h2-8,22H,1H3,(H,20,23)/p-1/b12-6+