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

Systemtic Name: (Z)-4-oxidanylidene-4-(pyren-1-ylamino)but-2-enoic acid Openeye Name: (Z)-4-oxo-4-(pyren-1-ylamino)but-2-enoic acid CAS Name: (Z)-4-oxo-4-(1-pyrenylamino)-2-butenoic acid IUPAC Name: (Z)-4-oxo-4-(pyren-1-ylamino)but-2-enoic acid Traditional Name: (Z)-4-keto-4-(pyren-1-ylamino)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)NC(=O)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H13NO3/c22-17(10-11-18(23)24)21-16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)20(14)19(12)13/h1-11H,(H,21,22)(H,23,24)/b11-10-