methyl 2-ethyl-5-methoxy-1-methyl-4-nitro-indole-3-carboxylate; prop-2-enoate

Systemtic Name: methyl 2-ethyl-5-methoxy-1-methyl-4-nitro-indole-3-carboxylate; prop-2-enoate Openeye Name: methyl 2-ethyl-5-methoxy-1-methyl-4-nitro-indole-3-carboxylate; prop-2-enoate CAS Name: 2-ethyl-5-methoxy-1-methyl-4-nitro-3-indolecarboxylic acid methyl ester; 2-propenoate IUPAC Name: methyl 2-ethyl-5-methoxy-1-methyl-4-nitroindole-3-carboxylate; prop-2-enoate Traditional Name: acrylate; 2-ethyl-5-methoxy-1-methyl-4-nitro-indole-3-carboxylic acid methyl ester Formula: C17H19N2O7- MolecularWeight: 363.34196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1C)C=CC(=C2[N+](=O)[O-])OC)C(=O)OC.C=CC(=O)[O-]

Isomeric SMILES

CCC1=C(C2=C(N1C)C=CC(=C2[N+](=O)[O-])OC)C(=O)OC.C=CC(=O)[O-]

InChI

InChI=1S/C14H16N2O5.C3H4O2/c1-5-8-12(14(17)21-4)11-9(15(8)2)6-7-10(20-3)13(11)16(18)19;1-2-3(4)5/h6-7H,5H2,1-4H3;2H,1H2,(H,4,5)/p-1