[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C20H22N4O6/c1-3-13-6-4-5-7-17(13)22-18(25)11-23(2)19(26)12-30-20(27)15-10-14(24(28)29)8-9-16(15)21/h4-10H,3,11-12,21H2,1-2H3,(H,22,25)