ethyl 3,5-dimethyl-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

InChI

InChI=1S/C19H18N2O7/c1-4-26-19(23)18-10(2)17(11(3)20-18)14(22)6-5-12-7-15-16(28-9-27-15)8-13(12)21(24)25/h5-8,20H,4,9H2,1-3H3/b6-5+