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

Systemtic Name: 4-[(E)-2-cyano-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(4-ethylanilino)-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C18H14N3O4- MolecularWeight: 336.32146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4/c1-2-12-3-6-15(7-4-12)20-18(23)14(11-19)9-13-5-8-17(22)16(10-13)21(24)25/h3-10,22H,2H2,1H3,(H,20,23)/p-1/b14-9+