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

Systemtic Name: [2-[(E)-3-[(4-chloranyl-2-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [2-[(E)-3-(4-chloro-2-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-[(E)-3-(4-chloro-2-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C27H16ClN3O5 MolecularWeight: 497.88604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=CC=C3C=C(C#N)C(=O)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=CC=C3/C=C(\C#N)/C(=O)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H16ClN3O5/c28-20-12-13-23(24(15-20)31(34)35)30-26(32)19(16-29)14-18-7-2-4-11-25(18)36-27(33)22-10-5-8-17-6-1-3-9-21(17)22/h1-15H,(H,30,32)/b19-14+