[1-(diphenylmethyl)azetidin-3-yl] (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: [1-(diphenylmethyl)azetidin-3-yl] (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: (1-benzhydrylazetidin-3-yl) (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid [1-(diphenylmethyl)-3-azetidinyl] ester IUPAC Name: (1-benzhydrylazetidin-3-yl) (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid (1-benzhydrylazetidin-3-yl) ester Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O5/c1-19(30)25(16-20-9-8-14-23(15-20)29(32)33)27(31)34-24-17-28(18-24)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-16,24,26H,17-18H2,1H3/b25-16+