2-[4-(diphenylmethyl)piperazin-1-yl]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)ethyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 2-(4-benzhydrylpiperazino)ethyl ester Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H31N3O5/c1-23(34)28(22-24-9-8-14-27(21-24)33(36)37)30(35)38-20-19-31-15-17-32(18-16-31)29(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,21-22,29H,15-20H2,1H3/b28-22+