3-nitro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(isopropylcarbamoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(isopropylcarbamoylamino)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-14(2)22-21(28)24-17-8-6-16(7-9-17)23-20(27)15-5-10-18(19(13-15)26(29)30)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,27)(H2,22,24,28)