N-[5-(butanoylamino)-2-chloranyl-phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[5-(butanoylamino)-2-chloranyl-phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[5-(butanoylamino)-2-chloro-phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-chloro-5-(1-oxobutylamino)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[5-(butanoylamino)-2-chlorophenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-(5-butyramido-2-chloro-phenyl)-2-methyl-3-nitro-benzamide Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4/c1-3-5-17(23)20-12-8-9-14(19)15(10-12)21-18(24)13-6-4-7-16(11(13)2)22(25)26/h4,6-10H,3,5H2,1-2H3,(H,20,23)(H,21,24)