2-[[6-bromanyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[6-bromanyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[6-bromo-2-(4-oxocyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]-3-methyl-butanoic acid CAS Name: 2-[[6-bromo-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1-benzopyran-4-yl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[6-bromo-2-(4-oxocyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]-3-methylbutanoic acid Traditional Name: 2-[[6-bromo-2-(4-ketocyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]-3-methyl-butyric acid Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=CC(=C2C=CC(=O)C=C2)OC3=C1C=C(C=C3)Br

Isomeric SMILES

CC(C)C(C(=O)O)NC1=CC(=C2C=CC(=O)C=C2)OC3=C1C=C(C=C3)Br

InChI

InChI=1S/C20H18BrNO4/c1-11(2)19(20(24)25)22-16-10-18(12-3-6-14(23)7-4-12)26-17-8-5-13(21)9-15(16)17/h3-11,19,22H,1-2H3,(H,24,25)