5-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]-2-nitro-benzoic acid Openeye Name: 5-[(2-amino-1-methyl-2-oxo-ethyl)amino]-2-nitro-benzoic acid CAS Name: 5-[(1-amino-1-oxopropan-2-yl)amino]-2-nitrobenzoic acid IUPAC Name: 5-[(1-amino-1-oxopropan-2-yl)amino]-2-nitrobenzoic acid Traditional Name: 5-[(2-amino-2-keto-1-methyl-ethyl)amino]-2-nitro-benzoic acid Formula: C10H11N3O5 MolecularWeight: 253.21144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C(=O)N)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H11N3O5/c1-5(9(11)14)12-6-2-3-8(13(17)18)7(4-6)10(15)16/h2-5,12H,1H3,(H2,11,14)(H,15,16)