[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-bis(azanyl)benzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-bis(azanyl)benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 3,5-diaminobenzoate CAS Name: 3,5-diaminobenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3,5-diaminobenzoate Traditional Name: 3,5-diaminobenzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C12H11N5O5S MolecularWeight: 337.31124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N)N)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1N)N)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5S/c13-7-1-6(2-8(14)3-7)11(19)22-5-9(18)16-12-15-4-10(23-12)17(20)21/h1-4H,5,13-14H2,(H,15,16,18)