N-[3-azanyl-1-[3-nitro-4-(pentan-3-ylamino)phenyl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(pentan-3-ylamino)phenyl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-amino-1-[4-(1-ethylpropylamino)-3-nitro-phenyl]-3-oxo-propyl]benzamide CAS Name: N-[3-amino-1-[3-nitro-4-(pentan-3-ylamino)phenyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(pentan-3-ylamino)phenyl]-3-oxopropyl]benzamide Traditional Name: N-[3-amino-1-[4-(1-ethylpropylamino)-3-nitro-phenyl]-3-keto-propyl]benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C=C1)C(CC(=O)N)NC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C=C1)C(CC(=O)N)NC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

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