N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-N-propan-2-yl-benzamide

Systemtic Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-N-propan-2-yl-benzamide Openeye Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-2-chloro-N-isopropyl-4-nitro-benzamide CAS Name: N-[2-[butyl-[(1-methyl-2-pyrrolyl)methyl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-propan-2-ylbenzamide IUPAC Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-propan-2-ylbenzamide Traditional Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-2-chloro-N-isopropyl-4-nitro-benzamide Formula: C22H29ClN4O4 MolecularWeight: 448.94306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1C)C(=O)CN(C(C)C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN(CC1=CC=CN1C)C(=O)CN(C(C)C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H29ClN4O4/c1-5-6-12-25(14-18-8-7-11-24(18)4)21(28)15-26(16(2)3)22(29)19-10-9-17(27(30)31)13-20(19)23/h7-11,13,16H,5-6,12,14-15H2,1-4H3