methyl 2,5-dimethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,5-dimethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[(E)-3-(2-nitrophenyl)acryloyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-10-15(16(11(2)18-10)17(21)24-3)14(20)9-8-12-6-4-5-7-13(12)19(22)23/h4-9,18H,1-3H3/b9-8+