[4-(quinazolin-4-ylamino)phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-(quinazolin-4-ylamino)phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(quinazolin-4-ylamino)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-(4-quinazolinylamino)phenyl] ester IUPAC Name: [4-(quinazolin-4-ylamino)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-(quinazolin-4-ylamino)phenyl] ester Formula: C21H13ClN4O4 MolecularWeight: 420.80532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN4O4/c22-17-10-5-13(11-19(17)26(28)29)21(27)30-15-8-6-14(7-9-15)25-20-16-3-1-2-4-18(16)23-12-24-20/h1-12H,(H,23,24,25)