(Z)-4-azanyl-4-oxidanylidene-2-pyren-1-yl-but-2-enoic acid

Systemtic Name: (Z)-4-azanyl-4-oxidanylidene-2-pyren-1-yl-but-2-enoic acid Openeye Name: (Z)-4-amino-4-oxo-2-pyren-1-yl-but-2-enoic acid CAS Name: (Z)-4-amino-4-oxo-2-(1-pyrenyl)-2-butenoic acid IUPAC Name: (Z)-4-amino-4-oxo-2-pyren-1-ylbut-2-enoic acid Traditional Name: (Z)-4-amino-4-keto-2-pyren-1-yl-but-2-enoic acid Formula: C20H13NO3 MolecularWeight: 315.32212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)/C(=C/C(=O)N)/C(=O)O

InChI

InChI=1S/C20H13NO3/c21-17(22)10-16(20(23)24)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)19(13)18(11)12/h1-10H,(H2,21,22)(H,23,24)/b16-10-