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

Systemtic Name: N-[3-azanyl-1-[4-(cyclododecylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[4-(cyclododecylamino)-3-nitro-phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[4-(cyclododecylamino)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[4-(cyclododecylamino)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-1-[4-(cyclododecylamino)-3-nitro-phenyl]-3-keto-propyl]-3,5-dimethyl-benzamide Formula: C30H42N4O4 MolecularWeight: 522.67888

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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)NC3CCCCCCCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NC3CCCCCCCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C30H42N4O4/c1-21-16-22(2)18-24(17-21)30(36)33-27(20-29(31)35)23-14-15-26(28(19-23)34(37)38)32-25-12-10-8-6-4-3-5-7-9-11-13-25/h14-19,25,27,32H,3-13,20H2,1-2H3,(H2,31,35)(H,33,36)