[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)N)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6/c1-11-7-13(4-5-15(11)22(25)26)19(24)28-16-6-3-12(9-17(16)27-2)8-14(10-20)18(21)23/h3-9H,1-2H3,(H2,21,23)/b14-8+