tert-butyl 3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-5-[(E)-2-nitroethenyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-5-[(E)-2-nitroethenyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-(3-methoxy-3-oxo-propyl)-4-methyl-5-[(E)-2-nitrovinyl]-1H-pyrrole-2-carboxylate CAS Name: 3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(E)-2-nitroethenyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(E)-2-nitroethenyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-(3-keto-3-methoxy-propyl)-4-methyl-5-[(E)-2-nitrovinyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)C=C[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O6/c1-10-11(6-7-13(19)23-5)14(15(20)24-16(2,3)4)17-12(10)8-9-18(21)22/h8-9,17H,6-7H2,1-5H3/b9-8+