[4-(quinazolin-4-ylamino)phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-(quinazolin-4-ylamino)phenyl] 3,5-dinitrobenzoate Openeye Name: [4-(quinazolin-4-ylamino)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(4-quinazolinylamino)phenyl] ester IUPAC Name: [4-(quinazolin-4-ylamino)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(quinazolin-4-ylamino)phenyl] ester Formula: C21H13N5O6 MolecularWeight: 431.35782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13N5O6/c27-21(13-9-15(25(28)29)11-16(10-13)26(30)31)32-17-7-5-14(6-8-17)24-20-18-3-1-2-4-19(18)22-12-23-20/h1-12H,(H,22,23,24)