propan-2-yl 7-methoxy-4-(2-nitrooxyethyl)-6-phenylmethoxy-1H-indole-2-carboxylate

Systemtic Name: propan-2-yl 7-methoxy-4-(2-nitrooxyethyl)-6-phenylmethoxy-1H-indole-2-carboxylate Openeye Name: isopropyl 6-benzyloxy-7-methoxy-4-(2-nitrooxyethyl)-1H-indole-2-carboxylate CAS Name: 7-methoxy-4-(2-nitrooxyethyl)-6-phenylmethoxy-1H-indole-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 7-methoxy-4-(2-nitrooxyethyl)-6-phenylmethoxy-1H-indole-2-carboxylate Traditional Name: 6-benzoxy-7-methoxy-4-(2-nitrooxyethyl)-1H-indole-2-carboxylic acid isopropyl ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(N1)C(=C(C=C2CCO[N+](=O)[O-])OCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(N1)C(=C(C=C2CCO[N+](=O)[O-])OCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H24N2O7/c1-14(2)31-22(25)18-12-17-16(9-10-30-24(26)27)11-19(21(28-3)20(17)23-18)29-13-15-7-5-4-6-8-15/h4-8,11-12,14,23H,9-10,13H2,1-3H3