5-(acridin-9-ylamino)pentyl 5-(aziridin-1-yl)-2,4-dinitro-benzoate

Systemtic Name: 5-(acridin-9-ylamino)pentyl 5-(aziridin-1-yl)-2,4-dinitro-benzoate Openeye Name: 5-(acridin-9-ylamino)pentyl 5-(aziridin-1-yl)-2,4-dinitro-benzoate CAS Name: 5-(1-aziridinyl)-2,4-dinitrobenzoic acid 5-(9-acridinylamino)pentyl ester IUPAC Name: 5-(acridin-9-ylamino)pentyl 5-(aziridin-1-yl)-2,4-dinitrobenzoate Traditional Name: 5-ethylenimino-2,4-dinitro-benzoic acid 5-(acridin-9-ylamino)pentyl ester Formula: C27H25N5O6 MolecularWeight: 515.5173

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C=C(C(=C2)C(=O)OCCCCCNC3=C4C=CC=CC4=NC5=CC=CC=C53)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=C(C(=C2)C(=O)OCCCCCNC3=C4C=CC=CC4=NC5=CC=CC=C53)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O6/c33-27(20-16-24(30-13-14-30)25(32(36)37)17-23(20)31(34)35)38-15-7-1-6-12-28-26-18-8-2-4-10-21(18)29-22-11-5-3-9-19(22)26/h2-5,8-11,16-17H,1,6-7,12-15H2,(H,28,29)