(phenylmethyl) N-[3-[(2-chloranyl-3-nitro-quinolin-4-yl)amino]propyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[(2-chloranyl-3-nitro-quinolin-4-yl)amino]propyl]carbamate Openeye Name: benzyl N-[3-[(2-chloro-3-nitro-4-quinolyl)amino]propyl]carbamate CAS Name: N-[3-[(2-chloro-3-nitro-4-quinolinyl)amino]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[(2-chloro-3-nitroquinolin-4-yl)amino]propyl]carbamate Traditional Name: N-[3-[(2-chloro-3-nitro-4-quinolyl)amino]propyl]carbamic acid benzyl ester Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCNC2=C(C(=NC3=CC=CC=C32)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCNC2=C(C(=NC3=CC=CC=C32)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O4/c21-19-18(25(27)28)17(15-9-4-5-10-16(15)24-19)22-11-6-12-23-20(26)29-13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,22,24)(H,23,26)