N-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]ethanamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]ethanamide Openeye Name: N-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]acetamide CAS Name: N-[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]acetamide IUPAC Name: N-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]acetamide Traditional Name: N-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]acetamide Formula: C16H12BrN5O3 MolecularWeight: 402.20218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN5O3/c1-9(23)20-14-7-13-12(6-15(14)22(24)25)16(19-8-18-13)21-11-4-2-3-10(17)5-11/h2-8H,1H3,(H,20,23)(H,18,19,21)