N-[3-azanyl-1-[4-(cyclooctylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3-azanyl-1-[4-(cyclooctylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[4-(cyclooctylamino)-3-nitro-phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[4-(cyclooctylamino)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[4-(cyclooctylamino)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-1-[4-(cyclooctylamino)-3-nitro-phenyl]-3-keto-propyl]-3,5-dimethyl-benzamide Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NC3CCCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NC3CCCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C26H34N4O4/c1-17-12-18(2)14-20(13-17)26(32)29-23(16-25(27)31)19-10-11-22(24(15-19)30(33)34)28-21-8-6-4-3-5-7-9-21/h10-15,21,23,28H,3-9,16H2,1-2H3,(H2,27,31)(H,29,32)