[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5/c1-8(13(18)16-10-4-5-10)22-14(19)9-3-6-11(15-2)12(7-9)17(20)21/h3,6-8,10,15H,4-5H2,1-2H3,(H,16,18)