naphthalen-1-ylmethyl 4-azanyl-3-nitro-benzoate

Systemtic Name: naphthalen-1-ylmethyl 4-azanyl-3-nitro-benzoate Openeye Name: 1-naphthylmethyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid 1-naphthylmethyl ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O4/c19-16-9-8-13(10-17(16)20(22)23)18(21)24-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-10H,11,19H2