(phenylmethyl) N-[6-azanyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-hexan-2-yl]carbamate hydrochloride

Systemtic Name: (phenylmethyl) N-[6-azanyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-hexan-2-yl]carbamate hydrochloride Openeye Name: benzyl N-[5-amino-1-[(4-nitrophenyl)carbamoyl]pentyl]carbamate hydrochloride CAS Name: N-[6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl N-[6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]carbamate hydrochloride Traditional Name: N-[5-amino-1-[(4-nitrophenyl)carbamoyl]pentyl]carbamic acid benzyl ester hydrochloride Formula: C20H25ClN4O5 MolecularWeight: 436.8893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H24N4O5.ClH/c21-13-5-4-8-18(23-20(26)29-14-15-6-2-1-3-7-15)19(25)22-16-9-11-17(12-10-16)24(27)28;/h1-3,6-7,9-12,18H,4-5,8,13-14,21H2,(H,22,25)(H,23,26);1H