ethyl 3-nitro-5-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]carbamoyl]benzoate Openeye Name: ethyl 3-[[2-(benzylamino)-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[2-oxo-2-[(phenylmethyl)amino]ethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(benzylamino)-2-oxoethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(benzylamino)-2-keto-ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c1-2-28-19(25)15-8-14(9-16(10-15)22(26)27)18(24)21-12-17(23)20-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,24)