methyl 3-nitro-5-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]benzoate Openeye Name: methyl 3-[[2-(isopropylamino)-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoate Traditional Name: 3-[[2-(isopropylamino)-2-keto-ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H17N3O6/c1-8(2)16-12(18)7-15-13(19)9-4-10(14(20)23-3)6-11(5-9)17(21)22/h4-6,8H,7H2,1-3H3,(H,15,19)(H,16,18)