N-[(E)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-nitro-3-oxidanylidene-3-phenyl-prop-1-enyl]benzamide

Systemtic Name: N-[(E)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-nitro-3-oxidanylidene-3-phenyl-prop-1-enyl]benzamide Openeye Name: N-[(E)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-nitro-3-oxo-3-phenyl-prop-1-enyl]benzamide CAS Name: N-[(E)-2-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-1-nitro-3-oxo-3-phenylprop-1-enyl]benzamide IUPAC Name: N-[(E)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-nitro-3-oxo-3-phenylprop-1-enyl]benzamide Traditional Name: N-[(E)-3-keto-2-[(2S)-2-(methoxymethyl)pyrrolidino]-1-nitro-3-phenyl-prop-1-enyl]benzamide Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1C(=C(NC(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

COC[C@@H]1CCCN1/C(=C(\NC(=O)C2=CC=CC=C2)/[N+](=O)[O-])/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5/c1-30-15-18-13-8-14-24(18)19(20(26)16-9-4-2-5-10-16)21(25(28)29)23-22(27)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3,(H,23,27)/b21-19+/t18-/m0/s1