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

Systemtic Name: methyl 3-nitro-5-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]carbamoyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-[[2-(benzylamino)-2-oxoethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(benzylamino)-2-keto-ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c1-27-18(24)14-7-13(8-15(9-14)21(25)26)17(23)20-11-16(22)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,22)(H,20,23)