N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]-3-chloranyl-5-nitro-benzamide

Systemtic Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]-3-chloranyl-5-nitro-benzamide Openeye Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxo-ethoxy]phenyl]methyl]-3-chloro-5-nitro-benzamide CAS Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-chloro-5-nitrobenzamide IUPAC Name: N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-chloro-5-nitrobenzamide Traditional Name: N-[4-amidino-2-[2-keto-2-(methylamino)ethoxy]benzyl]-3-chloro-5-nitro-benzamide Formula: C18H18ClN5O5 MolecularWeight: 419.81902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN5O5/c1-22-16(25)9-29-15-6-10(17(20)21)2-3-11(15)8-23-18(26)12-4-13(19)7-14(5-12)24(27)28/h2-7H,8-9H2,1H3,(H3,20,21)(H,22,25)(H,23,26)