N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-4-chloranyl-2-nitro-benzamide

Systemtic Name: N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-4-chloranyl-2-nitro-benzamide Openeye Name: N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-4-chloro-2-nitro-benzamide CAS Name: N-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-4-chloro-2-nitrobenzamide IUPAC Name: N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-4-chloro-2-nitrobenzamide Traditional Name: N-[4-[(2-amino-2-keto-ethyl)carbamoyl]benzyl]-4-chloro-2-nitro-benzamide Formula: C17H15ClN4O5 MolecularWeight: 390.7778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C17H15ClN4O5/c18-12-5-6-13(14(7-12)22(26)27)17(25)20-8-10-1-3-11(4-2-10)16(24)21-9-15(19)23/h1-7H,8-9H2,(H2,19,23)(H,20,25)(H,21,24)