(2-azanyl-2-oxidanylidene-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C12H13N3O5 MolecularWeight: 279.24872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c13-11(16)6-20-12(17)7-1-4-9(14-8-2-3-8)10(5-7)15(18)19/h1,4-5,8,14H,2-3,6H2,(H2,13,16)