[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C16H15N5O7S MolecularWeight: 421.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O7S/c22-13(18-16-17-8-14(29-16)21(26)27)9-28-15(23)10-3-4-11(12(7-10)20(24)25)19-5-1-2-6-19/h3-4,7-8H,1-2,5-6,9H2,(H,17,18,22)