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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O4/c18-14-7-12(8-15(16(14)22)21(24)25)6-13(9-19)17(23)20-10-11-4-2-1-3-5-11/h1-8,22H,10H2,(H,20,23)/p-1/b13-6-