ethyl 7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxylate

Systemtic Name: ethyl 7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxylate Openeye Name: ethyl 7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxylate CAS Name: 7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxylate Traditional Name: 7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenz[g]indazole-2-carboxylic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1C(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-3-29-21(25)23-20(14-5-4-6-15(11-14)24(26)27)18-9-7-13-12-16(28-2)8-10-17(13)19(18)22-23/h4-6,8,10-12,18,20H,3,7,9H2,1-2H3