N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]phenyl]-4-nitro-benzamide Openeye Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxo-ethyl]phenyl]-4-nitro-benzamide CAS Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxoethyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxoethyl]phenyl]-4-nitrobenzamide Traditional Name: N-[2-[2-[[4-(aminomethyl)benzyl]amino]-2-keto-ethyl]phenyl]-4-nitro-benzamide Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)NCC2=CC=C(C=C2)CN)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)NCC2=CC=C(C=C2)CN)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4/c24-14-16-5-7-17(8-6-16)15-25-22(28)13-19-3-1-2-4-21(19)26-23(29)18-9-11-20(12-10-18)27(30)31/h1-12H,13-15,24H2,(H,25,28)(H,26,29)