2-azanyl-N-[1-azanyl-3-(3-nitro-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide hydrochloride

Systemtic Name: 2-azanyl-N-[1-azanyl-3-(3-nitro-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide hydrochloride Openeye Name: 2-amino-N-[2-amino-1-[(4-hydroxy-3-nitro-phenyl)methyl]-2-oxo-ethyl]-3-phenyl-propanamide hydrochloride CAS Name: 2-amino-N-[1-amino-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-phenylpropanamide hydrochloride IUPAC Name: 2-amino-N-[1-amino-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-3-phenylpropanamide hydrochloride Traditional Name: 2-amino-N-[2-amino-1-(4-hydroxy-3-nitro-benzyl)-2-keto-ethyl]-3-phenyl-propionamide hydrochloride Formula: C18H21ClN4O5 MolecularWeight: 408.83614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)N)N.Cl

InChI

InChI=1S/C18H20N4O5.ClH/c19-13(8-11-4-2-1-3-5-11)18(25)21-14(17(20)24)9-12-6-7-16(23)15(10-12)22(26)27;/h1-7,10,13-14,23H,8-9,19H2,(H2,20,24)(H,21,25);1H