(E)-7-azanyl-2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-7-oxidanylidene-hept-2-enoic acid

Systemtic Name: (E)-7-azanyl-2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-7-oxidanylidene-hept-2-enoic acid Openeye Name: (E)-7-amino-2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-7-oxo-hept-2-enoic acid CAS Name: (E)-7-amino-2-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]-7-oxo-2-heptenoic acid IUPAC Name: (E)-7-amino-2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-7-oxohept-2-enoic acid Traditional Name: (E)-7-amino-2-[[(E)-3-(3-bromophenyl)acryloyl]amino]-7-keto-hept-2-enoic acid Formula: C16H17BrN2O4 MolecularWeight: 381.22118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O4/c17-12-5-3-4-11(10-12)8-9-15(21)19-13(16(22)23)6-1-2-7-14(18)20/h3-6,8-10H,1-2,7H2,(H2,18,20)(H,19,21)(H,22,23)/b9-8+,13-6+