4-nitrooxybutyl 2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylate

Systemtic Name: 4-nitrooxybutyl 2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylate Openeye Name: 4-nitrooxybutyl 2-(3-chloro-2-methyl-anilino)pyridine-3-carboxylate CAS Name: 2-(3-chloro-2-methylanilino)-3-pyridinecarboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate Traditional Name: 2-(3-chloro-2-methyl-anilino)nicotinic acid 4-nitrooxybutyl ester Formula: C17H18ClN3O5 MolecularWeight: 379.79492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O5/c1-12-14(18)7-4-8-15(12)20-16-13(6-5-9-19-16)17(22)25-10-2-3-11-26-21(23)24/h4-9H,2-3,10-11H2,1H3,(H,19,20)