2-[[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]amino]-3-piperidin-1-yl-naphthalene-1,4-dione

Systemtic Name: 2-[[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]amino]-3-piperidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]anilino]-3-(1-piperidyl)naphthalene-1,4-dione CAS Name: 2-[4-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]anilino]-3-(1-piperidinyl)naphthalene-1,4-dione IUPAC Name: 2-[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]anilino]-3-piperidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-[4-[(E)-3-(3-nitrophenyl)acryloyl]anilino]-3-piperidino-1,4-naphthoquinone Formula: C30H25N3O5 MolecularWeight: 507.5366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)/C=C/C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H25N3O5/c34-26(16-11-20-7-6-8-23(19-20)33(37)38)21-12-14-22(15-13-21)31-27-28(32-17-4-1-5-18-32)30(36)25-10-3-2-9-24(25)29(27)35/h2-3,6-16,19,31H,1,4-5,17-18H2/b16-11+