N-[(2S)-butan-2-yl]-3-nitro-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-3-nitro-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzamide Openeye Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-[(1S)-1-methylpropyl]-3-nitro-benzamide CAS Name: N-[(2S)-butan-2-yl]-3-nitro-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]benzamide IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2S)-butan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-[(1S)-1-methylpropyl]-3-nitro-benzamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)N(CC1=CC=CN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O3/c1-3-18(2)25(23(27)20-11-7-12-21(15-20)26(28)29)17-22-13-8-14-24(22)16-19-9-5-4-6-10-19/h4-15,18H,3,16-17H2,1-2H3/t18-/m0/s1