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

Systemtic Name: N-[3-azanyl-1-[4-(cyclopropylmethylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[4-(cyclopropylmethylamino)-3-nitro-phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[4-(cyclopropylmethylamino)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[4-(cyclopropylmethylamino)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-1-[4-(cyclopropylmethylamino)-3-nitro-phenyl]-3-keto-propyl]-3,5-dimethyl-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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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)NCC3CC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCC3CC3)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N4O4/c1-13-7-14(2)9-17(8-13)22(28)25-19(11-21(23)27)16-5-6-18(20(10-16)26(29)30)24-12-15-3-4-15/h5-10,15,19,24H,3-4,11-12H2,1-2H3,(H2,23,27)(H,25,28)