[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CCNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C19H20N4O6/c1-2-20-19(26)22-17(24)12-29-18(25)15-10-14(23(27)28)8-9-16(15)21-11-13-6-4-3-5-7-13/h3-10,21H,2,11-12H2,1H3,(H2,20,22,24,26)