N-[2-chloranyl-5-(propanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-chloranyl-5-(propanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-chloro-5-(propanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-chloro-5-(1-oxopropylamino)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-chloro-5-(propanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-chloro-5-propionamido-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4/c1-2-19(26)22-14-6-7-15(21)16(12-14)23-20(27)13-5-8-17(18(11-13)25(28)29)24-9-3-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,26)(H,23,27)