(1-azanyl-1-oxidanylidene-propan-2-yl) 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5/c1-7(12(14)17)21-13(18)8-2-5-10(15-9-3-4-9)11(6-8)16(19)20/h2,5-7,9,15H,3-4H2,1H3,(H2,14,17)