N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[4-[(2-amino-2-keto-ethyl)carbamoyl]benzyl]-4-(methylamino)-3-nitro-benzamide Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5/c1-20-14-7-6-13(8-15(14)23(27)28)18(26)21-9-11-2-4-12(5-3-11)17(25)22-10-16(19)24/h2-8,20H,9-10H2,1H3,(H2,19,24)(H,21,26)(H,22,25)