ethyl (E)-7-azanyl-4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-7-oxidanylidene-hept-2-enoate

Systemtic Name: ethyl (E)-7-azanyl-4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-7-oxidanylidene-hept-2-enoate Openeye Name: ethyl (E)-7-amino-4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-7-oxo-hept-2-enoate CAS Name: (E)-7-amino-4-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]-7-oxo-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-amino-4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-7-oxohept-2-enoate Traditional Name: (E)-7-amino-4-[[(E)-3-(3-bromophenyl)acryloyl]amino]-7-keto-hept-2-enoic acid ethyl ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)C=CC1=CC(=CC=C1)Br

Isomeric SMILES

CCOC(=O)/C=C/C(CCC(=O)N)NC(=O)/C=C/C1=CC(=CC=C1)Br

InChI

InChI=1S/C18H21BrN2O4/c1-2-25-18(24)11-8-15(7-9-16(20)22)21-17(23)10-6-13-4-3-5-14(19)12-13/h3-6,8,10-12,15H,2,7,9H2,1H3,(H2,20,22)(H,21,23)/b10-6+,11-8+