4-nitrooxybutyl 2-[(4-chlorophenyl)carbonylamino]-3-(2-oxidanylidene-1H-quinolin-4-yl)propanoate

Systemtic Name: 4-nitrooxybutyl 2-[(4-chlorophenyl)carbonylamino]-3-(2-oxidanylidene-1H-quinolin-4-yl)propanoate Openeye Name: 4-nitrooxybutyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-(2-keto-1H-quinolin-4-yl)propionic acid 4-nitrooxybutyl ester Formula: C23H22ClN3O7 MolecularWeight: 487.88968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)OCCCCO[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)OCCCCO[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H22ClN3O7/c24-17-9-7-15(8-10-17)22(29)26-20(23(30)33-11-3-4-12-34-27(31)32)13-16-14-21(28)25-19-6-2-1-5-18(16)19/h1-2,5-10,14,20H,3-4,11-13H2,(H,25,28)(H,26,29)