quinolin-8-ylmethyl 2-azanyl-5-nitro-benzoate

Systemtic Name: quinolin-8-ylmethyl 2-azanyl-5-nitro-benzoate Openeye Name: 8-quinolylmethyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid 8-quinolylmethyl ester Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N)N=CC=C2

InChI

InChI=1S/C17H13N3O4/c18-15-7-6-13(20(22)23)9-14(15)17(21)24-10-12-4-1-3-11-5-2-8-19-16(11)12/h1-9H,10,18H2