[3-(quinazolin-4-ylamino)phenyl] 4-nitrobenzoate

Systemtic Name: [3-(quinazolin-4-ylamino)phenyl] 4-nitrobenzoate Openeye Name: [3-(quinazolin-4-ylamino)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(4-quinazolinylamino)phenyl] ester IUPAC Name: [3-(quinazolin-4-ylamino)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(quinazolin-4-ylamino)phenyl] ester Formula: C21H14N4O4 MolecularWeight: 386.36026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N4O4/c26-21(14-8-10-16(11-9-14)25(27)28)29-17-5-3-4-15(12-17)24-20-18-6-1-2-7-19(18)22-13-23-20/h1-13H,(H,22,23,24)