[2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[[2-(2-methylanilino)-2-oxo-ethyl]-propyl-amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-[[2-keto-2-(o-toluidino)ethyl]-propyl-amino]ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-3-12-23(13-19(25)22-17-10-6-4-8-15(17)2)20(26)14-30-21(27)16-9-5-7-11-18(16)24(28)29/h4-11H,3,12-14H2,1-2H3,(H,22,25)