phenanthridin-6-ylmethyl 3-azanyl-4-chloranyl-benzoate

Systemtic Name: phenanthridin-6-ylmethyl 3-azanyl-4-chloranyl-benzoate Openeye Name: phenanthridin-6-ylmethyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid phenanthridin-6-ylmethyl ester Formula: C21H15ClN2O2 MolecularWeight: 362.809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)C4=CC(=C(C=C4)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)C4=CC(=C(C=C4)Cl)N

InChI

InChI=1S/C21H15ClN2O2/c22-17-10-9-13(11-18(17)23)21(25)26-12-20-16-7-2-1-5-14(16)15-6-3-4-8-19(15)24-20/h1-11H,12,23H2