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

Systemtic Name: N-butan-2-yl-2-chloranyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-4-nitro-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-chloro-N-[2-[cyclopropyl-[(1-methyl-2-pyrrolyl)methyl]amino]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-butan-2-yl-2-chloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-4-nitro-N-sec-butyl-benzamide Formula: C22H27ClN4O4 MolecularWeight: 446.92718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CN1C)C2CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CN1C)C2CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H27ClN4O4/c1-4-15(2)25(22(29)19-10-9-17(27(30)31)12-20(19)23)14-21(28)26(16-7-8-16)13-18-6-5-11-24(18)3/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3