[2-(butylamino)-2-oxidanylidene-ethyl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate CAS Name: 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(2-chlorobenzyl)amino]-3-nitro-benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5/c1-2-3-10-22-19(25)13-29-20(26)14-8-9-17(18(11-14)24(27)28)23-12-15-6-4-5-7-16(15)21/h4-9,11,23H,2-3,10,12-13H2,1H3,(H,22,25)