ethyl 6-chloranyl-2-methyl-5-nitro-4-[2-[(phenylmethyl)amino]propylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-2-methyl-5-nitro-4-[2-[(phenylmethyl)amino]propylamino]pyridine-3-carboxylate Openeye Name: ethyl 4-[2-(benzylamino)propylamino]-6-chloro-2-methyl-5-nitro-pyridine-3-carboxylate CAS Name: 6-chloro-2-methyl-5-nitro-4-[2-[(phenylmethyl)amino]propylamino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(benzylamino)propylamino]-6-chloro-2-methyl-5-nitropyridine-3-carboxylate Traditional Name: 4-[2-(benzylamino)propylamino]-6-chloro-2-methyl-5-nitro-nicotinic acid ethyl ester Formula: C19H23ClN4O4 MolecularWeight: 406.86332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1C)Cl)[N+](=O)[O-])NCC(C)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1C)Cl)[N+](=O)[O-])NCC(C)NCC2=CC=CC=C2

InChI

InChI=1S/C19H23ClN4O4/c1-4-28-19(25)15-13(3)23-18(20)17(24(26)27)16(15)22-10-12(2)21-11-14-8-6-5-7-9-14/h5-9,12,21H,4,10-11H2,1-3H3,(H,22,23)