propan-2-yl 2,4-dimethyl-5-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c1-12(2)30-20(27)17-13(3)18(22-14(17)4)19(26)24-9-7-23(8-10-24)15-5-6-16(21-11-15)25(28)29/h5-6,11-12,22H,7-10H2,1-4H3