4-[[3-[(3-chlorophenyl)methylcarbamoyl]-7-methoxy-chromen-2-ylidene]amino]benzoic acid

Systemtic Name: 4-[[3-[(3-chlorophenyl)methylcarbamoyl]-7-methoxy-chromen-2-ylidene]amino]benzoic acid Openeye Name: 4-[[3-[(3-chlorophenyl)methylcarbamoyl]-7-methoxy-chromen-2-ylidene]amino]benzoic acid CAS Name: 4-[[3-[[(3-chlorophenyl)methylamino]-oxomethyl]-7-methoxy-1-benzopyran-2-ylidene]amino]benzoic acid IUPAC Name: 4-[[3-[(3-chlorophenyl)methylcarbamoyl]-7-methoxychromen-2-ylidene]amino]benzoic acid Traditional Name: 4-[[3-[(3-chlorobenzyl)carbamoyl]-7-methoxy-chromen-2-ylidene]amino]benzoic acid Formula: C25H19ClN2O5 MolecularWeight: 462.88176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=NC3=CC=C(C=C3)C(=O)O)O2)C(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=NC3=CC=C(C=C3)C(=O)O)O2)C(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H19ClN2O5/c1-32-20-10-7-17-12-21(23(29)27-14-15-3-2-4-18(26)11-15)24(33-22(17)13-20)28-19-8-5-16(6-9-19)25(30)31/h2-13H,14H2,1H3,(H,27,29)(H,30,31)