N-[(E)-1-anthracen-9-yl-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(E)-1-anthracen-9-yl-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(E)-2-(9-anthryl)-1-(phenylcarbamoyl)vinyl]-3-nitro-benzamide CAS Name: N-[(E)-3-anilino-1-(9-anthracenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(E)-3-anilino-1-anthracen-9-yl-3-oxoprop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(E)-2-(9-anthryl)-1-(phenylcarbamoyl)vinyl]-3-nitro-benzamide Formula: C30H21N3O4 MolecularWeight: 487.50544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CC2=C3C=CC=CC3=CC4=CC=CC=C42)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)/C(=C\C2=C3C=CC=CC3=CC4=CC=CC=C42)/NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H21N3O4/c34-29(22-11-8-14-24(18-22)33(36)37)32-28(30(35)31-23-12-2-1-3-13-23)19-27-25-15-6-4-9-20(25)17-21-10-5-7-16-26(21)27/h1-19H,(H,31,35)(H,32,34)/b28-19+