1-[4-(3-azanyl-7-methoxy-1,2-benzoxazol-4-yl)phenyl]-3-(3-bromophenyl)urea

Systemtic Name: 1-[4-(3-azanyl-7-methoxy-1,2-benzoxazol-4-yl)phenyl]-3-(3-bromophenyl)urea Openeye Name: 1-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl]-3-(3-bromophenyl)urea CAS Name: 1-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl]-3-(3-bromophenyl)urea IUPAC Name: 1-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl]-3-(3-bromophenyl)urea Traditional Name: 1-[4-(3-amino-7-methoxy-indoxazen-4-yl)phenyl]-3-(3-bromophenyl)urea Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br)C(=NO2)N

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br)C(=NO2)N

InChI

InChI=1S/C21H17BrN4O3/c1-28-17-10-9-16(18-19(17)29-26-20(18)23)12-5-7-14(8-6-12)24-21(27)25-15-4-2-3-13(22)11-15/h2-11H,1H3,(H2,23,26)(H2,24,25,27)