ethyl 1,3-dimethyl-2-(4-nitrophenyl)-6-oxidanylidene-cyclohepta[c]pyrrole-5-carboxylate

Systemtic Name: ethyl 1,3-dimethyl-2-(4-nitrophenyl)-6-oxidanylidene-cyclohepta[c]pyrrole-5-carboxylate Openeye Name: ethyl 1,3-dimethyl-2-(4-nitrophenyl)-6-oxo-cyclohepta[c]pyrrole-5-carboxylate CAS Name: 1,3-dimethyl-2-(4-nitrophenyl)-6-oxo-5-cyclohepta[c]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3-dimethyl-2-(4-nitrophenyl)-6-oxocyclohepta[c]pyrrole-5-carboxylate Traditional Name: 6-keto-1,3-dimethyl-2-(4-nitrophenyl)cyclohepta[c]pyrrole-5-carboxylic acid ethyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N(C(=C2C=CC1=O)C)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N(C(=C2C=CC1=O)C)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N2O5/c1-4-27-20(24)18-11-17-13(3)21(12(2)16(17)9-10-19(18)23)14-5-7-15(8-6-14)22(25)26/h5-11H,4H2,1-3H3