[(2E)-2-ethylidenepyrrolidin-1-yl]-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methanone; methanol

Systemtic Name: [(2E)-2-ethylidenepyrrolidin-1-yl]-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methanone; methanol Openeye Name: (4-benzyloxy-5-methoxy-2-nitro-phenyl)-[(2E)-2-ethylidenepyrrolidin-1-yl]methanone; methanol CAS Name: [(2E)-2-ethylidene-1-pyrrolidinyl]-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methanone; methanol IUPAC Name: [(2E)-2-ethylidenepyrrolidin-1-yl]-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methanone; methanol Traditional Name: (4-benzoxy-5-methoxy-2-nitro-phenyl)-[(2E)-2-ethylidenepyrrolidino]methanone; methanol Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1CCCN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCC3=CC=CC=C3)OC.CO

Isomeric SMILES

C/C=C/1\CCCN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCC3=CC=CC=C3)OC.CO

InChI

InChI=1S/C21H22N2O5.CH4O/c1-3-16-10-7-11-22(16)21(24)17-12-19(27-2)20(13-18(17)23(25)26)28-14-15-8-5-4-6-9-15;1-2/h3-6,8-9,12-13H,7,10-11,14H2,1-2H3;2H,1H3/b16-3+;