(E)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[2-(4-ethoxyphenyl)-1-pyrrolidinyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-nitrophenyl)-1-(2-p-phenetylpyrrolidino)prop-2-en-1-one Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O4/c1-2-27-19-11-9-17(10-12-19)20-7-4-14-22(20)21(24)13-8-16-5-3-6-18(15-16)23(25)26/h3,5-6,8-13,15,20H,2,4,7,14H2,1H3/b13-8+