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

Systemtic Name: propan-2-yl 7-methoxy-4-(2-nitrooxyethyl)-6-oxidanyl-1H-indole-2-carboxylate Openeye Name: isopropyl 6-hydroxy-7-methoxy-4-(2-nitrooxyethyl)-1H-indole-2-carboxylate CAS Name: 6-hydroxy-7-methoxy-4-(2-nitrooxyethyl)-1H-indole-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-hydroxy-7-methoxy-4-(2-nitrooxyethyl)-1H-indole-2-carboxylate Traditional Name: 6-hydroxy-7-methoxy-4-(2-nitrooxyethyl)-1H-indole-2-carboxylic acid isopropyl ester Formula: C15H18N2O7 MolecularWeight: 338.31262

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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-])O)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O7/c1-8(2)24-15(19)11-7-10-9(4-5-23-17(20)21)6-12(18)14(22-3)13(10)16-11/h6-8,16,18H,4-5H2,1-3H3