(Z)-3-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]-2-methyl-prop-2-enoic acid

Systemtic Name: (Z)-3-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]-2-methyl-prop-2-enoic acid Openeye Name: (Z)-3-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-2-methyl-prop-2-enoic acid CAS Name: (Z)-3-[[4-(3-bromoanilino)-6-quinazolinyl]amino]-2-methyl-2-propenoic acid IUPAC Name: (Z)-3-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-2-methylprop-2-enoic acid Traditional Name: (Z)-3-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-2-methyl-acrylic acid Formula: C18H15BrN4O2 MolecularWeight: 399.2413

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CNC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)C(=O)O

Isomeric SMILES

C/C(=C/NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)/C(=O)O

InChI

InChI=1S/C18H15BrN4O2/c1-11(18(24)25)9-20-13-5-6-16-15(8-13)17(22-10-21-16)23-14-4-2-3-12(19)7-14/h2-10,20H,1H3,(H,24,25)(H,21,22,23)/b11-9-