N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[[4-(diethylaminomethyl)benzyl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-3-24(4-2)15-17-10-8-16(9-11-17)13-22-20(26)14-23-21(27)18-6-5-7-19(12-18)25(28)29/h5-12H,3-4,13-15H2,1-2H3,(H,22,26)(H,23,27)