N-[3-azanyl-1-[3-nitro-4-(2-pyrrolidin-1-ylethylamino)phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(2-pyrrolidin-1-ylethylamino)phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-(2-pyrrolidin-1-ylethylamino)phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[2-(1-pyrrolidinyl)ethylamino]phenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(2-pyrrolidin-1-ylethylamino)phenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-(2-pyrrolidinoethylamino)phenyl]propyl]-3,5-dimethyl-benzamide Formula: C24H31N5O4 MolecularWeight: 453.53404

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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)NCCN3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCCN3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C24H31N5O4/c1-16-11-17(2)13-19(12-16)24(31)27-21(15-23(25)30)18-5-6-20(22(14-18)29(32)33)26-7-10-28-8-3-4-9-28/h5-6,11-14,21,26H,3-4,7-10,15H2,1-2H3,(H2,25,30)(H,27,31)