[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C20H17ClN4O5 MolecularWeight: 428.82578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl)/N

InChI

InChI=1S/C20H17ClN4O5/c1-12(23)16(9-22)19(26)11-30-20(27)15-8-14(25(28)29)6-7-18(15)24-10-13-4-2-3-5-17(13)21/h2-8,24H,10-11,23H2,1H3/b16-12+