3-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3-(2-piperazin-1-ylethyl)-2,4-dihydro-1H-pyridine-5-carboxylic acid

Systemtic Name: 3-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3-(2-piperazin-1-ylethyl)-2,4-dihydro-1H-pyridine-5-carboxylic acid Openeye Name: 3-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3-(2-piperazin-1-ylethyl)-2,4-dihydro-1H-pyridine-5-carboxylic acid CAS Name: 3-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3-[2-(1-piperazinyl)ethyl]-2,4-dihydro-1H-pyridine-5-carboxylic acid IUPAC Name: 3-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3-(2-piperazin-1-ylethyl)-2,4-dihydro-1H-pyridine-5-carboxylic acid Traditional Name: 3-carbomethoxy-2,6-dimethyl-4-(3-nitrophenyl)-3-(2-piperazinoethyl)-2,4-dihydro-1H-pyridine-5-carboxylic acid Formula: C22H30N4O6 MolecularWeight: 446.4968

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])(CCN3CCNCC3)C(=O)OC

Isomeric SMILES

CC1C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])(CCN3CCNCC3)C(=O)OC

InChI

InChI=1S/C22H30N4O6/c1-14-18(20(27)28)19(16-5-4-6-17(13-16)26(30)31)22(15(2)24-14,21(29)32-3)7-10-25-11-8-23-9-12-25/h4-6,13,15,19,23-24H,7-12H2,1-3H3,(H,27,28)