[2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[(1-methoxycarbonyl-3-methyl-butyl)amino]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-[(1-carbomethoxy-3-methyl-butyl)amino]-2-keto-ethyl] ester Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O7/c1-9(2)6-13(16(22)25-3)18-14(20)8-26-15(21)11-7-10(19(23)24)4-5-12(11)17/h4-5,7,9,13H,6,8,17H2,1-3H3,(H,18,20)