3-acetamido-N-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylideneamino]benzamide

Systemtic Name: 3-acetamido-N-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylideneamino]benzamide Openeye Name: 3-acetamido-N-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methyleneamino]benzamide CAS Name: 3-acetamido-N-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylideneamino]benzamide IUPAC Name: 3-acetamido-N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide Traditional Name: 3-acetamido-N-[(3-nitro-4-pyrrolidino-benzylidene)amino]benzamide Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c1-14(26)22-17-6-4-5-16(12-17)20(27)23-21-13-15-7-8-18(19(11-15)25(28)29)24-9-2-3-10-24/h4-8,11-13H,2-3,9-10H2,1H3,(H,22,26)(H,23,27)