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

Systemtic Name: phenanthridin-6-ylmethyl 4-azanyl-3-nitro-benzoate Openeye Name: phenanthridin-6-ylmethyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid phenanthridin-6-ylmethyl ester Formula: C21H15N3O4 MolecularWeight: 373.3615

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

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4/c22-17-10-9-13(11-20(17)24(26)27)21(25)28-12-19-16-7-2-1-5-14(16)15-6-3-4-8-18(15)23-19/h1-11H,12,22H2