ethyl 5-chloranyl-6-[4-[(3,5-dinitrophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[(3,5-dinitrophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[(3,5-dinitrophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[(3,5-dinitroanilino)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(3,5-dinitrophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[(3,5-dinitrophenyl)carbamoyl]piperazino]nicotinic acid ethyl ester Formula: C19H19ClN6O7 MolecularWeight: 478.84316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN6O7/c1-2-33-18(27)12-7-16(20)17(21-11-12)23-3-5-24(6-4-23)19(28)22-13-8-14(25(29)30)10-15(9-13)26(31)32/h7-11H,2-6H2,1H3,(H,22,28)