(Z)-2-(3-bromophenyl)carbonyl-3-(propan-2-ylamino)prop-2-enoic acid

Systemtic Name: (Z)-2-(3-bromophenyl)carbonyl-3-(propan-2-ylamino)prop-2-enoic acid Openeye Name: (Z)-2-(3-bromobenzoyl)-3-(isopropylamino)prop-2-enoic acid CAS Name: (Z)-2-[(3-bromophenyl)-oxomethyl]-3-(propan-2-ylamino)-2-propenoic acid IUPAC Name: (Z)-2-(3-bromobenzoyl)-3-(propan-2-ylamino)prop-2-enoic acid Traditional Name: (Z)-2-(3-bromobenzoyl)-3-(isopropylamino)acrylic acid Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC=C(C(=O)C1=CC(=CC=C1)Br)C(=O)O

Isomeric SMILES

CC(C)N/C=C(/C(=O)C1=CC(=CC=C1)Br)\C(=O)O

InChI

InChI=1S/C13H14BrNO3/c1-8(2)15-7-11(13(17)18)12(16)9-4-3-5-10(14)6-9/h3-8,15H,1-2H3,(H,17,18)/b11-7-