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

Systemtic Name: 4-[(E)-3-[(3-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(3-chloro-2-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-(3-chloro-2-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C17H11ClN3O4- MolecularWeight: 356.73994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H12ClN3O4/c1-10-13(18)3-2-4-14(10)20-17(23)12(9-19)7-11-5-6-16(22)15(8-11)21(24)25/h2-8,22H,1H3,(H,20,23)/p-1/b12-7+