[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=CC=CC=C41

InChI

InChI=1S/C21H17N3O5S/c1-2-23-16-6-4-3-5-14(16)15-11-13(7-8-17(15)23)22-19(25)12-29-21(26)18-9-10-20(30-18)24(27)28/h3-11H,2,12H2,1H3,(H,22,25)