N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-N-isopropyl-3-nitro-benzamide CAS Name: N-[2-[butyl-[(1-methyl-2-pyrrolyl)methyl]amino]-2-oxoethyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-N-isopropyl-3-nitro-benzamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-5-6-13-24(15-20-11-8-12-23(20)4)21(27)16-25(17(2)3)22(28)18-9-7-10-19(14-18)26(29)30/h7-12,14,17H,5-6,13,15-16H2,1-4H3