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

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

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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