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

Systemtic Name: methyl 5-methoxy-1,2-dimethyl-4-nitro-indole-3-carboxylate; prop-2-enoate Openeye Name: methyl 5-methoxy-1,2-dimethyl-4-nitro-indole-3-carboxylate; prop-2-enoate CAS Name: 5-methoxy-1,2-dimethyl-4-nitro-3-indolecarboxylic acid methyl ester; 2-propenoate IUPAC Name: methyl 5-methoxy-1,2-dimethyl-4-nitroindole-3-carboxylate; prop-2-enoate Traditional Name: acrylate; 5-methoxy-1,2-dimethyl-4-nitro-indole-3-carboxylic acid methyl ester Formula: C16H17N2O7- MolecularWeight: 349.31538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=CC(=C2[N+](=O)[O-])OC)C(=O)OC.C=CC(=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1C)C=CC(=C2[N+](=O)[O-])OC)C(=O)OC.C=CC(=O)[O-]

InChI

InChI=1S/C13H14N2O5.C3H4O2/c1-7-10(13(16)20-4)11-8(14(7)2)5-6-9(19-3)12(11)15(17)18;1-2-3(4)5/h5-6H,1-4H3;2H,1H2,(H,4,5)/p-1