ethyl 1-(1,3-benzodioxol-5-yl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-yl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-yl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-yl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-yl)-8-nitro-4,5-dihydrobenz[g]indazole-3-carboxylic acid ethyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CCC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CCC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O6/c1-2-28-21(25)19-15-7-4-12-3-5-14(24(26)27)9-16(12)20(15)23(22-19)13-6-8-17-18(10-13)30-11-29-17/h3,5-6,8-10H,2,4,7,11H2,1H3