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

Systemtic Name: 2-bromanyl-4-[(E)-2-cyano-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-nitro-phenolate Openeye Name: 2-bromo-4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxo-prop-1-enyl]-6-nitro-phenolate CAS Name: 2-bromo-4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-6-nitrophenolate IUPAC Name: 2-bromo-4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-6-nitrophenolate Traditional Name: 2-bromo-4-[(E)-2-cyano-3-(4-ethylanilino)-3-keto-prop-1-enyl]-6-nitro-phenolate Formula: C18H13BrN3O4- MolecularWeight: 415.21752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)Br)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H14BrN3O4/c1-2-11-3-5-14(6-4-11)21-18(24)13(10-20)7-12-8-15(19)17(23)16(9-12)22(25)26/h3-9,23H,2H2,1H3,(H,21,24)/p-1/b13-7+